Skip to main content

Butabarbital

ADVERTISEMENT
Identification
Molecular formula
C10H16BrN2O3
CAS number
125-40-6
IUPAC name
5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione
State
State

Solid at room temperature.

Melting point (Celsius)
147.00
Melting point (Kelvin)
420.00
Boiling point (Celsius)
335.00
Boiling point (Kelvin)
608.00
General information
Molecular weight
268.15g/mol
Molar mass
268.1440g/mol
Density
1.1907g/cm3
Appearence

White, crystalline powder that is odorless and has a bitter taste.

Comment on solubility

Solubility of 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione

The solubility of the compound 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione can be influenced by a variety of factors, including polarity, molecular interactions, and the presence of functional groups. Understanding the solubility characteristics of this compound is essential for its potential applications in various fields.

Factors Affecting Solubility:

  • Polarity: The presence of polar groups in the molecule may enhance solubility in polar solvents, while nonpolar attributes may favor solubility in organic solvents.
  • Hydrogen Bonding: Compounds capable of hydrogen bonding tend to have increased solubility in water and other hydrogen bond donors.
  • Temperature: As temperature increases, solubility typically increases, especially for solids.
  • Solvent Type: The choice of solvent plays a critical role, and this compound may exhibit better solubility in organic solvents compared to water.

As a general observation:

  • Solubility in water: Likely limited due to non-polar structures.
  • Solubility in organic solvents: Expected to be higher, particularly in nonpolar to moderately polar solvents.

In conclusion, while the specific solubility data for 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione may require experimental analysis, the factors outlined above provide a useful framework for predicting its solubility behavior in various environments.

Interesting facts

Interesting Facts about 5-(2-Bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione

The compound 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione belongs to a fascinating class of organic compounds known as pyrimidines. These compounds are analogous to their pyridine counterparts, and they often exhibit interesting biological activities.

1. Structure and Functionality

This compound features a unique hexahydropyrimidine ring which contributes to its stability and reactivity. The presence of the bromo and allyl groups makes it particularly fascinating for synthetic chemistry, as these functional groups are known to participate in various chemical reactions, leading to the formation of new and more complex molecules.

2. Biological Significance

Pyrimidines, including this compound, play crucial roles in cellular processes. Notably, they are integral to:

  • Nucleotide Synthesis: Pyrimidines are key components of DNA and RNA, serving as the building blocks necessary for genetic material.
  • Energy Transfer: They are involved in the formation of essential molecules like ATP, which is vital for energy transfer in biological systems.
  • Enzyme Activity: Many pyrimidine derivatives have been shown to exhibit antimicrobial and antitumor activities, making them valuable in pharmaceutical development.

3. Synthetic Utility

The unique structure of 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione allows for:

  • Diverse Reactions: The bromo group facilitates nucleophilic substitution reactions, providing pathways for further derivatization.
  • Formation of Complex Architectures: The reactivity of the alkene system opens pathways for creating diverse polycyclic compounds.

4. Research and Applications

Ongoing research is evaluating the potential applications of this compound in:

  • Medicinal Chemistry: New derivatives are being explored for their promising pharmaceutical properties.
  • Agricultural Chemistry: Investigating potential uses in crop protection and biocontrol mechanisms.

In summary, 5-(2-bromoallyl)-5-sec-butyl-hexahydropyrimidine-2,4,6-trione is a compound that stands at the intersection of organic synthesis and biological research, showcasing the fascinating interplay between structure and function in the chemistry of life.

Synonyms
Butallylonal
Pernocton
Sonbutal
Butylalylonal
Pernoston
1142-70-7
5-(2-Bromoallyl)-5-sec-butylbarbituric acid
5-(2-Bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
BARBITURIC ACID, 5-(2-BROMOALLYL)-5-sec-BUTYL-
5-(2-bromoprop-2-enyl)-5-butan-2-yl-1,3-diazinane-2,4,6-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-
5-(2'-Bromoallyl)-5-(1'-methyl-n-propyl)barbituric acid
H223WHY93B
5-(2-Bromo-2-propenyl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-sec-Butyl-5-(.beta.-bromoallyl)barbituric acid
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(1-methylpropyl)-
Butyl-bromallyl-barbitursaeure
Butallylonal [NF]
EINECS 214-537-5
BRN 0249332
UNII-H223WHY93B
5-(2-Bromallyl)-5-sec-butylbarbitursaeure
5-sec-Butyl-5-(beta-bromoallyl)barbituric acid
BUTALLYLONAL [MI]
5-24-09-00231 (Beilstein Handbook Reference)
SCHEMBL714028
CHEMBL469253
DTXSID10871829
AKOS027381197
NS00045914
5-(2'-Bromallyl)-5-(sec-butyl)barbituric acid
5-(2-Bromallyl)-5-(1-methyl-propyl)-barbitursaure
Q1017842
5-(2-Bromo-2-propenyl)-5-sec-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
5-(2-BROMO-2-PROPENYL)-5-(1-METHYLPROPYL)-2,4,6(1H,3H,5H)PYRIMIDINETRIONE
pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2-bromoallyl)-5-(1-methylpropyl)-